3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

C12H21NO3 — CID 66477411

IUPAC3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-11(2)9(12(11,3)4)10(16)13(5)7-6-8(14)15/h9H,6-7H2,1-5H3,(H,14,15)
InChIKeyVTGRECFVGBHMJY-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.60
Rot. Bonds4

About 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid

3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 66477411) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID66477411
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1C(C)(C)C1(C)C
InChIInChI=1S/C12H21NO3/c1-11(2)9(12(11,3)4)10(16)13(5)7-6-8(14)15/h9H,6-7H2,1-5H3,(H,14,15)
InChIKeyVTGRECFVGBHMJY-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[propan-2-yl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid
CID 66476263
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
3-[(2,6-dimethyloxane-4-carbonyl)-methylamino]propanoic acid
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3-[methyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175271
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
3-[methyl-[(2S)-oxolane-2-carbonyl]amino]propanoic acid
CID 93398627
3-[(3-fluorocyclohexanecarbonyl)-methylamino]propanoic acid
CID 122126118
3-[methyl-[(1-methylcyclopentyl)carbamoyl]amino]propanoic acid
CID 64688064
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252
3-[(3-aminocyclohexanecarbonyl)-methylamino]propanoic acid
CID 63046966
3-[(2-cyclopentyl-2-methylpropanoyl)-methylamino]propanoic acid
CID 120524978
3-[methyl-(1-methylpiperidine-3-carbonyl)amino]propanoic acid
CID 110837310

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid (CID 66477411) is 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)C1C(C)(C)C1(C)C.
What is the InChIKey of 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is VTGRECFVGBHMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2)9(12(11,3)4)10(16)13(5)7-6-8(14)15/h9H,6-7H2,1-5H3,(H,14,15).
What are the key properties of 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid?
3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 66477411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).